B75UBN
-OEChem-04022100352D
65 68 0 1 0 0 0 0 0999 V2000
8.1962 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.5961 1.2162 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
16.8641 1.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1243 -0.7704 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
17.7282 0.7195 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
12.5282 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3923 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6602 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2602 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7961 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 -0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9923 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0641 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1205 -1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8563 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7243 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8525 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5884 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7166 -2.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5845 -1.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9285 0.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1315 0.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9919 -1.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7890 -1.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2599 -1.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0569 -1.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6606 0.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8635 0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1965 0.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3995 0.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5278 -1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3249 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3926 0.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5956 0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4645 0.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6674 0.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5005 -1.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1181 -2.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7405 -1.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3144 -2.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -1.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1265 -0.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 1.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7142 -2.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 1.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1203 -2.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -1.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 20 1 0 0 0 0
2 22 1 0 0 0 0
2 31 1 0 0 0 0
3 29 2 0 0 0 0
4 7 1 0 0 0 0
5 7 2 0 0 0 0
6 11 1 0 0 0 0
6 14 1 0 0 0 0
6 16 1 0 0 0 0
7 18 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 36 1 0 0 0 0
8 37 1 0 0 0 0
9 11 1 0 0 0 0
9 38 1 0 0 0 0
9 39 1 0 0 0 0
10 12 1 0 0 0 0
10 40 1 0 0 0 0
10 41 1 0 0 0 0
11 42 1 0 0 0 0
11 43 1 0 0 0 0
12 13 1 0 0 0 0
12 44 1 0 0 0 0
12 45 1 0 0 0 0
13 15 1 0 0 0 0
13 46 1 0 0 0 0
13 47 1 0 0 0 0
14 17 1 0 0 0 0
14 48 1 0 0 0 0
14 49 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
16 52 1 0 0 0 0
16 53 1 0 0 0 0
16 54 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
18 24 2 0 0 0 0
19 26 1 0 0 0 0
19 55 1 0 0 0 0
20 23 2 0 0 0 0
20 25 1 0 0 0 0
21 22 2 0 0 0 0
21 27 1 0 0 0 0
21 29 1 0 0 0 0
22 23 1 0 0 0 0
23 56 1 0 0 0 0
24 30 1 0 0 0 0
24 57 1 0 0 0 0
25 27 2 0 0 0 0
25 58 1 0 0 0 0
26 30 2 0 0 0 0
26 59 1 0 0 0 0
27 60 1 0 0 0 0
28 29 1 0 0 0 0
28 31 1 0 0 0 0
28 32 2 0 0 0 0
30 61 1 0 0 0 0
31 33 2 0 0 0 0
32 34 1 0 0 0 0
32 62 1 0 0 0 0
33 35 1 0 0 0 0
33 63 1 0 0 0 0
34 35 2 0 0 0 0
34 64 1 0 0 0 0
35 65 1 0 0 0 0
M CHG 2 4 -1 7 1
M END
$$$$